7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol

C15H23N5O3 — CID 169117498

IUPAC7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESNc1ncc2ccc(N3CCOCC3)n2n1.OC1CCCOC1
InChIInChI=1S/C10H13N5O.C5H10O2/c11-10-12-7-8-1-2-9(15(8)13-10)14-3-5-16-6-4-14;6-5-2-1-3-7-4-5/h1-2,7H,3-6H2,(H2,11,13);5-6H,1-4H2
InChIKeyFQYFMLGWRACDOZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.31
Rot. Bonds1

About 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol

7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol (PubChem CID 169117498) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
PubChem CID169117498
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESNc1ncc2ccc(N3CCOCC3)n2n1.OC1CCCOC1
InChIInChI=1S/C10H13N5O.C5H10O2/c11-10-12-7-8-1-2-9(15(8)13-10)14-3-5-16-6-4-14;6-5-2-1-3-7-4-5/h1-2,7H,3-6H2,(H2,11,13);5-6H,1-4H2
InChIKeyFQYFMLGWRACDOZ-UHFFFAOYSA-N
XLogP0.31
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169116968
5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688856
6-bromo-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117628
6-bromo-7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117443
7-(4-tert-butyl-2-fluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117261
5-fluoro-7-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117104
6-bromo-5-fluoro-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117736
7-[2,6-difluoro-4-(1-methylcyclopropyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117739
5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688923
5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688929
5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117432
2-amino-5-chloro-7-(3,3-difluorobutan-2-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile;oxan-3-ol
CID 169117548

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The IUPAC name of 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol (CID 169117498) is 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol.
What is the SMILES notation for 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The canonical SMILES for 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol is Nc1ncc2ccc(N3CCOCC3)n2n1.OC1CCCOC1.
What is the InChIKey of 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The InChIKey is FQYFMLGWRACDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O.C5H10O2/c11-10-12-7-8-1-2-9(15(8)13-10)14-3-5-16-6-4-14;6-5-2-1-3-7-4-5/h1-2,7H,3-6H2,(H2,11,13);5-6H,1-4H2.
What are the key properties of 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol has a molecular weight of 321.38 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol is sourced from PubChem (CID 169117498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).